COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -2.821   1.886   0.102  1.00  0.00           C  
HETATM    2  C   UNK A   1      -1.492   1.382   0.513  1.00  0.00           C  
HETATM    3  C   UNK A   1      -1.329   0.786   1.765  1.00  0.00           C  
HETATM    4  C   UNK A   1      -0.093   0.316   2.149  1.00  0.00           C  
HETATM    5  C   UNK A   1       0.998   0.436   1.285  1.00  0.00           C  
HETATM    6  C   UNK A   1       0.834   1.033   0.032  1.00  0.00           C  
HETATM    7  C   UNK A   1      -0.403   1.497  -0.352  1.00  0.00           C  
HETATM    8  C   UNK A   1       2.325  -0.067   1.696  1.00  0.00           C  
HETATM    9  O   UNK A   1       2.467  -0.586   2.786  1.00  0.00           O  
HETATM   10  N   UNK A   1       3.377   0.049   0.862  1.00  0.00           N  
HETATM   11  C   UNK A   1       4.693  -0.451   1.270  1.00  0.00           C  
HETATM   12  C   UNK A   1       5.704  -0.198   0.149  1.00  0.00           C  
HETATM   13  N   UNK A   1       7.019  -0.697   0.557  1.00  0.00           N  
HETATM   14  C   UNK A   1       8.072  -0.581  -0.276  1.00  0.00           C  
HETATM   15  O   UNK A   1       7.930  -0.064  -1.364  1.00  0.00           O  
HETATM   16  C   UNK A   1       9.425  -1.094   0.143  1.00  0.00           C  
HETATM   17  H   UNK A   1      -2.173   0.694   2.433  1.00  0.00           H  
HETATM   18  H   UNK A   1       0.033  -0.144   3.118  1.00  0.00           H  
HETATM   19  H   UNK A   1       1.678   1.125  -0.637  1.00  0.00           H  
HETATM   20  H   UNK A   1      -0.530   1.958  -1.321  1.00  0.00           H  
HETATM   21  H   UNK A   1       3.264   0.462  -0.008  1.00  0.00           H  
HETATM   22  H   UNK A   1       5.014   0.068   2.173  1.00  0.00           H  
HETATM   23  H   UNK A   1       4.630  -1.520   1.468  1.00  0.00           H  
HETATM   24  H   UNK A   1       5.382  -0.716  -0.754  1.00  0.00           H  
HETATM   25  H   UNK A   1       5.766   0.873  -0.049  1.00  0.00           H  
HETATM   26  H   UNK A   1       7.133  -1.110   1.427  1.00  0.00           H  
HETATM   27  H   UNK A   1       9.747  -0.576   1.046  1.00  0.00           H  
HETATM   28  H   UNK A   1       9.363  -2.164   0.341  1.00  0.00           H  
HETATM   29  S   UNK A   1      -4.236   0.842   0.223  1.00  0.00           S  
HETATM   30  C   UNK A   1      -2.949   3.134  -0.356  1.00  0.00           C  
HETATM   31  C   UNK A   1      -1.724   3.979  -0.593  1.00  0.00           C  
HETATM   32  C   UNK A   1      -4.319   3.696  -0.637  1.00  0.00           C  
HETATM   33  N   UNK A   1      -1.405   3.987  -2.027  1.00  0.00           N  
HETATM   34  N   UNK A   1      -4.796   4.433   0.541  1.00  0.00           N  
HETATM   35  C   UNK A   1      -3.886  -0.461  -0.989  1.00  0.00           C  
HETATM   36  C   UNK A   1      -4.979  -1.530  -0.919  1.00  0.00           C  
HETATM   37  C   UNK A   1      -4.688  -2.613  -1.926  1.00  0.00           C  
HETATM   38  O   UNK A   1      -4.524  -3.752  -1.558  1.00  0.00           O  
HETATM   39  O   UNK A   1      -4.611  -2.312  -3.232  1.00  0.00           O  
HETATM   40  N   UNK A   1      -5.010  -2.109   0.426  1.00  0.00           N  
HETATM   41  C   UNK A   0      -6.145  -2.668   0.892  1.00  0.00           C  
HETATM   42  O   UNK A   0      -6.174  -3.200   2.129  1.00  0.00           O  
HETATM   43  O   UNK A   0      -7.141  -2.691   0.197  1.00  0.00           O  
HETATM   44 CL   UNK A   1      10.617  -0.796  -1.177  1.00  0.00          Cl  
HETATM   45  H   UNK A   1      -1.916   4.998  -0.258  1.00  0.00           H  
HETATM   46  H   UNK A   1      -0.884   3.565  -0.036  1.00  0.00           H  
HETATM   47  H   UNK A   1      -4.266   4.372  -1.491  1.00  0.00           H  
HETATM   48  H   UNK A   1      -5.008   2.882  -0.860  1.00  0.00           H  
HETATM   49  H   UNK A   1      -0.527   4.455  -2.199  1.00  0.00           H  
HETATM   50  H   UNK A   1      -1.394   3.050  -2.400  1.00  0.00           H  
HETATM   51  H   UNK A   1      -4.141   5.153   0.807  1.00  0.00           H  
HETATM   52  H   UNK A   1      -5.713   4.820   0.378  1.00  0.00           H  
HETATM   53  H   UNK A   1      -3.862  -0.030  -1.990  1.00  0.00           H  
HETATM   54  H   UNK A   1      -2.920  -0.915  -0.766  1.00  0.00           H  
HETATM   55  H   UNK A   1      -5.945  -1.076  -1.142  1.00  0.00           H  
HETATM   56  H   UNK A   1      -4.423  -3.040  -3.840  1.00  0.00           H  
HETATM   57  H   UNK A   1      -4.215  -2.090   0.981  1.00  0.00           H  
HETATM   58  H   UNK A   0      -7.010  -3.590   2.420  1.00  0.00           H  
CONECT    1    2   29   30   30                                       
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4   17                                       
CONECT    4    5    5    3   18                                       
CONECT    5    6    8    4    4                                       
CONECT    6    7    7    5   19                                       
CONECT    7    6    6    2   20                                       
CONECT    8    9    9    5   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   21                                            
CONECT   11   10   12   22   23                                       
CONECT   12   11   13   24   25                                       
CONECT   13   12   14   26                                            
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   27   28   44                                       
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21   10                                                      
CONECT   22   11                                                      
CONECT   23   11                                                      
CONECT   24   12                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29    1   35                                                 
CONECT   30    1    1   31   32                                       
CONECT   31   30   33   45   46                                       
CONECT   32   30   34   47   48                                       
CONECT   33   31   49   50                                            
CONECT   34   32   51   52                                            
CONECT   35   29   36   53   54                                       
CONECT   36   35   37   40   55                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   56                                                 
CONECT   40   36   41   57                                            
CONECT   41   40   42   43   43                                       
CONECT   42   41   58                                                 
CONECT   43   41   41                                                 
CONECT   44   16                                                      
CONECT   45   31                                                      
CONECT   46   31                                                      
CONECT   47   32                                                      
CONECT   48   32                                                      
CONECT   49   33                                                      
CONECT   50   33                                                      
CONECT   51   34                                                      
CONECT   52   34                                                      
CONECT   53   35                                                      
CONECT   54   35                                                      
CONECT   55   36                                                      
CONECT   56   39                                                      
CONECT   57   40                                                      
CONECT   58   42                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
